
 CHEMBL89397

 67 70  0  0  0  0  0  0  0  0999 V2000
    1.8125   -1.2570    8.1596 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL89397

>  <PubChem CID>
10505222

>  <Formula>
C27H31FN6O2

>  <Molecular Weight>
490.583000

>  <IUPAC Name>
8-cyano-4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylquinoline-3-carboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)C(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC

>  <Isomeric SMILES>
CN(C)C(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)NCCCN3CCN(CC3)C4=C(C=C(C=C4)F)OC

>  <InChI Std. ID>
InChI=1S/C27H31FN6O2/c1-32(2)27(35)22-18-31-25-19(17-29)6-4-7-21(25)26(22)30-10-5-11-33-12-14-34(15-13-33)23-9-8-20(28)16-24(23)36-3/h4,6-9,16,18H,5,10-15H2,1-3H3,(H,30,31)

>  <InChI Key>
GLGMQHCDVUTDEG-UHFFFAOYSA-N

